SCHEMBL30400427

SCHEMBL30400427

COCc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(NC(C)=O)n3)nn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.41
▸ ADORA1 P30542 3/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2B P29275 5/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MELK Q14680 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20400314 1.00 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL30401320 0.92 CDC7 (0.41) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL20401421 0.92 CDC7 (0.41) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL20436671 0.91 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL30401126 0.91 ADORA2A (0.41) ADORA2AADORA1ADORA2BCDC7DAPK3
SCHEMBL20401436 0.91 ADORA2A (0.41) ADORA2AADORA1ADORA2BCDC7DAPK3
SCHEMBL20401338 0.89 CDC7 (0.40) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL20416768 0.89 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL30401253 0.89 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL30400836 0.89 CDC7 (0.40) ADORA2AADORA1ADORA3ADORA2BCDC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768859-A Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-09-19 — — CN disclosed
CN-110214012-B Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-05-09 — — CN disclosed
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